4-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

C19H23ClN2O4S — CID 18074478

IUPAC4-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H23ClN2O4S/c1-14-13-16(20)6-9-18(14)26-12-2-3-19(23)22-11-10-15-4-7-17(8-5-15)27(21,24)25/h4-9,13H,2-3,10-12H2,1H3,(H,22,23)(H2,21,24,25)
InChIKeyFNPSFJRKKJLIJH-UHFFFAOYSA-N
MW410.92 g/mol
LogP2.81
Rot. Bonds9

About 4-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

4-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (PubChem CID 18074478) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
PubChem CID18074478
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name4-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H23ClN2O4S/c1-14-13-16(20)6-9-18(14)26-12-2-3-19(23)22-11-10-15-4-7-17(8-5-15)27(21,24)25/h4-9,13H,2-3,10-12H2,1H3,(H,22,23)(H2,21,24,25)
InChIKeyFNPSFJRKKJLIJH-UHFFFAOYSA-N
XLogP2.81
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2683015
4-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 24538199
4-(4-chloro-2-methylphenoxy)-N-[(4-chlorophenyl)methyl]butanamide
CID 2094963
2-(2-bromo-4-chlorophenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2627423
4-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide
CID 26580576
ethyl 2-[4-(4-chloro-2-methylphenoxy)butanoylamino]acetate
CID 4077817
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
3-(3-chloro-4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027647
N-[2-(2,4-dimethylphenoxy)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 41262125
4-(2-acetamidoethyl)-N-[3-(4-chloro-2-methylphenoxy)propyl]benzamide
CID 47071541
5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 110297842
4-(4-chloro-2-methylphenoxy)-N-(5-ethylsulfonyl-2-hydroxyphenyl)butanamide
CID 35978441

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (CID 18074478) is 4-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.
What is the SMILES notation for 4-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The canonical SMILES for 4-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is Cc1cc(Cl)ccc1OCCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The InChIKey is FNPSFJRKKJLIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-14-13-16(20)6-9-18(14)26-12-2-3-19(23)22-11-10-15-4-7-17(8-5-15)27(21,24)25/h4-9,13H,2-3,10-12H2,1H3,(H,22,23)(H2,21,24,25).
What are the key properties of 4-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
4-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide has a molecular weight of 410.92 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is sourced from PubChem (CID 18074478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).